N-(2-amino-2-ethylbutyl)-3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanamide;dihydrochloride

C19H29Cl2N5O2 — CID 137078584

IUPACN-(2-amino-2-ethylbutyl)-3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)CCc1c(C)nc(-c2cccnc2)[nH]c1=O.Cl.Cl
InChIInChI=1S/C19H27N5O2.2ClH/c1-4-19(20,5-2)12-22-16(25)9-8-15-13(3)23-17(24-18(15)26)14-7-6-10-21-11-14;;/h6-7,10-11H,4-5,8-9,12,20H2,1-3H3,(H,22,25)(H,23,24,26);2*1H
InChIKeyKZUIKBUKZNIDGO-UHFFFAOYSA-N
MW430.38 g/mol
LogP2.55
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanamide;dihydrochloride

N-(2-amino-2-ethylbutyl)-3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanamide;dihydrochloride (PubChem CID 137078584) has the molecular formula C19H29Cl2N5O2 and a molecular weight of 430.38 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanamide;dihydrochloride
PubChem CID137078584
Molecular FormulaC19H29Cl2N5O2
Molecular Weight430.38 g/mol
Exact Mass429.17
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)CCc1c(C)nc(-c2cccnc2)[nH]c1=O.Cl.Cl
InChIInChI=1S/C19H27N5O2.2ClH/c1-4-19(20,5-2)12-22-16(25)9-8-15-13(3)23-17(24-18(15)26)14-7-6-10-21-11-14;;/h6-7,10-11H,4-5,8-9,12,20H2,1-3H3,(H,22,25)(H,23,24,26);2*1H
InChIKeyKZUIKBUKZNIDGO-UHFFFAOYSA-N
XLogP2.55
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanamide;dihydrochloride (CID 137078584) is N-(2-amino-2-ethylbutyl)-3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanamide;dihydrochloride is CCC(N)(CC)CNC(=O)CCc1c(C)nc(-c2cccnc2)[nH]c1=O.Cl.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanamide;dihydrochloride?
The InChIKey is KZUIKBUKZNIDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2.2ClH/c1-4-19(20,5-2)12-22-16(25)9-8-15-13(3)23-17(24-18(15)26)14-7-6-10-21-11-14;;/h6-7,10-11H,4-5,8-9,12,20H2,1-3H3,(H,22,25)(H,23,24,26);2*1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanamide;dihydrochloride?
N-(2-amino-2-ethylbutyl)-3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanamide;dihydrochloride has a molecular weight of 430.38 g/mol, XLogP of 2.55, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanamide;dihydrochloride is sourced from PubChem (CID 137078584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).